SCHEMBL29048622

SCHEMBL29048622

CCOc1ccc(-c2cc(-c3ccc(Nc4ccc(OC(C)(C)C)cc4)cc3)ccn2)c(OCC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 2/20 0.36
ALOX5 P09917 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RIPK1 Q13546 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDR P35968 1/20 0.33
PLK1 P53350 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
SLC2A1 P11166 1/20 0.33
CTPS1 P17812 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29048679 0.91 SYK (0.43) KDM4ELMNATP53SMN1; SMN2SYK
SCHEMBL29048683 0.89 FGFR2 (0.41) KDM4ELMNATP53SMN1; SMN2SYK
SCHEMBL30525967 0.89 KDM4E (0.42) KDM4ELMNATP53SMN1; SMN2SYK
SCHEMBL21670505 0.89 KDM4E (0.42) KDM4ELMNATP53SMN1; SMN2SYK
SCHEMBL29048632 0.88 MAPT (0.43) KDM4ELMNATP53SMN1; SMN2SYK
SCHEMBL29048609 0.88 KDM4E (0.45) KDM4ELMNATP53SMN1; SMN2SYK
SCHEMBL29048664 0.88 AGPAT2 (0.39) KDM4ELMNATP53SMN1; SMN2SYK
SCHEMBL29048634 0.87 MAPKAPK2 (0.42) KDM4ELMNATP53SMN1; SMN2SYK
SCHEMBL29048625 0.86 MEN1 (0.36) KDM4ELMNATP53SMN1; SMN2MEN1
SCHEMBL29048612 0.86 CYP2D6 (0.45) KDM4ELMNATP53SMN1; SMN2SYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 CN disclosed